CID 28966

18220-68-3

Structural Information

Molecular Formula
C20H32N2
SMILES
C1C2CC3(CC1CC(C2)(C3)N)C45CC6CC(C4)CC(C6)(C5)N
InChI
InChI=1S/C20H32N2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12,21-22H2
InChIKey
SOKRCBPOBAYQBS-UHFFFAOYSA-N
Compound name
3-(3-amino-1-adamantyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

93
Patents

300.25656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 166.2
[M+Na]+ 323.24578 161.8
[M-H]- 299.24928 155.1
[M+NH4]+ 318.29038 191.3
[M+K]+ 339.21972 154.1
[M+H-H2O]+ 283.25382 148.6
[M+HCOO]- 345.25476 155.9
[M+CH3COO]- 359.27041 166.9
[M+Na-2H]- 321.23123 174.4
[M]+ 300.25601 159.3
[M]- 300.25711 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe